Geometry & MOs

Info

ID:	203828
PubChem CID:	79876339
Reduced:	ClON2F3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	318.076217
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	1.94
IP(EA), eV:	-9.58(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-carbamothioyl-6-(trifluoromethyl)pyridin-2-yl]amino]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=C(C=CC(=N2)C(F)(F)F)C#N

DOS

IR

Vibrations